6-hydroxynaphthalene-2-carbonitrile

C11H7NO — CID 4589476

IUPAC6-hydroxynaphthalene-2-carbonitrile
SMILESN#Cc1ccc2cc(O)ccc2c1
InChIInChI=1S/C11H7NO/c12-7-8-1-2-10-6-11(13)4-3-9(10)5-8/h1-6,13H
InChIKeyWKTNIBWKHNIPQR-UHFFFAOYSA-N
MW169.18 g/mol
LogP2.42
Rot. Bonds

About 6-hydroxynaphthalene-2-carbonitrile

6-hydroxynaphthalene-2-carbonitrile (PubChem CID 4589476) has the molecular formula C11H7NO and a molecular weight of 169.18 g/mol. Its IUPAC name is 6-hydroxynaphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-hydroxynaphthalene-2-carbonitrile
PubChem CID4589476
Molecular FormulaC11H7NO
Molecular Weight169.18 g/mol
Exact Mass169.05
IUPAC Name6-hydroxynaphthalene-2-carbonitrile
SMILESN#Cc1ccc2cc(O)ccc2c1
InChIInChI=1S/C11H7NO/c12-7-8-1-2-10-6-11(13)4-3-9(10)5-8/h1-6,13H
InChIKeyWKTNIBWKHNIPQR-UHFFFAOYSA-N
XLogP2.42
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxynaphthalene-2-carbonitrile?
The IUPAC name of 6-hydroxynaphthalene-2-carbonitrile (CID 4589476) is 6-hydroxynaphthalene-2-carbonitrile.
What is the SMILES notation for 6-hydroxynaphthalene-2-carbonitrile?
The canonical SMILES for 6-hydroxynaphthalene-2-carbonitrile is N#Cc1ccc2cc(O)ccc2c1.
What is the InChIKey of 6-hydroxynaphthalene-2-carbonitrile?
The InChIKey is WKTNIBWKHNIPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO/c12-7-8-1-2-10-6-11(13)4-3-9(10)5-8/h1-6,13H.
What are the key properties of 6-hydroxynaphthalene-2-carbonitrile?
6-hydroxynaphthalene-2-carbonitrile has a molecular weight of 169.18 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxynaphthalene-2-carbonitrile is sourced from PubChem (CID 4589476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).